[4-[3-(5-aminocarbonyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-azanyl-5-methyl-phenyl]carbamic acid

Systemtic Name: [4-[3-(5-aminocarbonyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-azanyl-5-methyl-phenyl]carbamic acid Openeye Name: [3-amino-4-[3-[(5-carbamoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-5-methyl-phenyl]carbamic acid CAS Name: [3-amino-4-[3-[[5-carbamoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-5-methylphenyl]carbamic acid IUPAC Name: [3-amino-4-[3-(5-carbamoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-5-methylphenyl]carbamic acid Traditional Name: [3-amino-4-[3-[[5-carbamoyl-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-5-methyl-phenyl]carbamic acid Formula: C20H19N3O5S3 MolecularWeight: 477.57696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=O)N)SC)N)NC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=O)N)SC)N)NC(=O)O

InChI

InChI=1S/C20H19N3O5S3/c1-10-6-12(23-20(25)26)8-14(21)17(10)11-4-3-5-13(7-11)31(27,28)16-9-15(18(22)24)30-19(16)29-2/h3-9,23H,21H2,1-2H3,(H2,22,24)(H,25,26)